This symposium will focus on method developments and applications of molecular simulation to studying the pathways of large conformational transition in biomolecular systems, of protein-ligand association/dissociation, of protein folding/unfolding, of ion passage through biological channels, and of other problems involving large conformational/configurational changes.

Standing Invited Symposia

These are invited symposia or member-contributed symposia that occur at every or alternating national ACS meetings.

The COMP Division of ACS is pleased to announce a new award symposium -- the "Thomas Kuhn Paradigm Shift Award Competition" -- sponsored by OpenEye Scientific Software. In the 1940's, while still a graduate student, Thomas Kuhn wrote a monograph on the nature of scientific revolution that was to become the most influential document on the nature of science of the Twentieth Century. Published in 1962 as 'The Structure of Scientific Revolutions', Kuhn described what he saw as the "essential tension" between established ideas, or paradigms, and the new; scientific progress arose by conflict and not consensus. The "Thomas Kuhn Paradigm Shift Award" is designed as an opportunity for speakers to present views at odds with perceived wisdom, with particular emphasis on application to the science of drug discovery.

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